| CAS Number | 1219349-78-6 |
| Catalog Number | AG009ELO(AGN-PC-0WOX8U) |
| Chemical Name | Fmoc-trifluoromethylalanine |
| IUPAC Name | 2-(9H-fluoren-9-ylmethoxycarbonylamino)-3,3,3-trifluoropropanoic acid |
| InChI | InChI=1S/C18H14F3NO4/c19-18(20,21)15(16(23)24)22-17(25)26-9-14-12-7-3-1-5-10(12)11-6-2-4-8-13(11)14/h1-8,14-15H,9H2,(H,22,25)(H,23,24) |
| InChI Key | GSEIXNCKLHONCZ-UHFFFAOYSA-N |
| MDL Number | MFCD28898379 |
| Molecular Formula | C18H14F3NO4 |
| Molecular Weight | 365.3033 |
| SMILES | C1=CC=C2C(=C1)C(C3=CC=CC=C32)COC(=O)NC(C(=O)O)C(F)(F)F |
| Synonyms | rac Fmoc-trifluoromethylalanine,
1219349-78-6,
CTK8G2793,
DTXSID70628775,
N-[(9H-Fluoren-9-ylmethoxy)carbonyl]-3,3,3-trifluoroalanine,
N-{[(9H-Fluoren-9-yl)methoxy]carbonyl}-3,3,3-trifluoroalanine,
GSEIXNCKLHONCZ-UHFFFAOYSA-N,
|
| Complexity | 517 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 365.087g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 26 |
| Hydrogen Bond Acceptor Count | 7 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 365.308g/mol |
| Monoisotopic Mass | 365.087g/mol |
| Rotatable Bond Count | 5 |
| Topological Polar Surface Area | 75.6A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.8 |
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Certificate of Analysis
Lot Number